6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide

C14H22ClN3O2S — CID 106365560

IUPAC6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2CCCCC2CCl)nc1
InChIInChI=1S/C14H22ClN3O2S/c1-18(2)21(19,20)12-7-8-14(16-10-12)17-13-6-4-3-5-11(13)9-15/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyWDNJKEQEFBSJGY-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.54
Rot. Bonds5

About 6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide

6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 106365560) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID106365560
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2CCCCC2CCl)nc1
InChIInChI=1S/C14H22ClN3O2S/c1-18(2)21(19,20)12-7-8-14(16-10-12)17-13-6-4-3-5-11(13)9-15/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyWDNJKEQEFBSJGY-UHFFFAOYSA-N
XLogP2.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
CID 106362373
6-[(2-aminocyclopentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341119
6-[(2-ethylsulfanylcyclopentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103804893
6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103623850
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
N,N-dimethyl-6-(pyrrolidin-3-ylamino)pyridine-3-sulfonamide
CID 103341109
6-(1-cyclobutylethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103850302
N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide
CID 103341110
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
CID 103340909
N-cycloheptyl-6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62145787
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341247

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide (CID 106365560) is 6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(NC2CCCCC2CCl)nc1.
What is the InChIKey of 6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is WDNJKEQEFBSJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-18(2)21(19,20)12-7-8-14(16-10-12)17-13-6-4-3-5-11(13)9-15/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide?
6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 106365560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).